2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride

C64H73ClF4N16O5 — CID 161332497

About 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride

2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride (PubChem CID 161332497) has the molecular formula C64H73ClF4N16O5 and a molecular weight of 1257.84 g/mol. Its IUPAC name is 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride.

Molecular Properties

• Compound Name: 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride
• PubChem CID: 161332497
• Molecular Formula: C64H73ClF4N16O5
• Molecular Weight: 1257.84 g/mol
• Exact Mass: 1256.56
• IUPAC Name: 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride
• SMILES: Cc1cc(-c2cc3c(nnn3C)c(C#N)n2)ccc1O.Cl.Cn1nnc2c(C#N)nc(-c3ccc(OCCC4CN(c5ccccn5)C4)c(C(F)(F)F)c3)cc21.Fc1ccccn1.OCCC1CCC1.OCCC1CN(c2ccccn2)C1.OCCC1CNC1
• InChI: InChI=1S/C24H20F3N7O.C14H11N5O.C10H14N2O.C6H12O.C5H4FN.C5H11NO.ClH/c1-33-20-11-18(30-19(12-28)23(20)31-32-33)16-5-6-21(17(10-16)24(25,26)27)35-9-7-15-13-34(14-15)22-4-2-3-8-29-22;1-8-5-9(3-4-13(8)20)10-6-12-14(11(7-15)16-10)17-18-19(12)2;13-6-4-9-7-12(8-9)10-3-1-2-5-11-10;7-5-4-6-2-1-3-6;6-5-3-1-2-4-7-5;7-2-1-5-3-6-4-5;/h2-6,8,10-11,15H,7,9,13-14H2,1H3;3-6,20H,1-2H3;1-3,5,9,13H,4,6-8H2;6-7H,1-5H2;1-4H;5-7H,1-4H2;1H
• InChIKey: SRDWWXMDEYMBJD-UHFFFAOYSA-N
• XLogP: 9.44
• TPSA: 282.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.84
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride?

The IUPAC name of 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride (CID 161332497) is 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride.

What is the SMILES notation for 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride?

The canonical SMILES for 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride is Cc1cc(-c2cc3c(nnn3C)c(C#N)n2)ccc1O.Cl.Cn1nnc2c(C#N)nc(-c3ccc(OCCC4CN(c5ccccn5)C4)c(C(F)(F)F)c3)cc21.Fc1ccccn1.OCCC1CCC1.OCCC1CN(c2ccccn2)C1.OCCC1CNC1.

What is the InChIKey of 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride?

The InChIKey is SRDWWXMDEYMBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O.C14H11N5O.C10H14N2O.C6H12O.C5H4FN.C5H11NO.ClH/c1-33-20-11-18(30-19(12-28)23(20)31-32-33)16-5-6-21(17(10-16)24(25,26)27)35-9-7-15-13-34(14-15)22-4-2-3-8-29-22;1-8-5-9(3-4-13(8)20)10-6-12-14(11(7-15)16-10)17-18-19(12)2;13-6-4-9-7-12(8-9)10-3-1-2-5-11-10;7-5-4-6-2-1-3-6;6-5-3-1-2-4-7-5;7-2-1-5-3-6-4-5;/h2-6,8,10-11,15H,7,9,13-14H2,1H3;3-6,20H,1-2H3;1-3,5,9,13H,4,6-8H2;6-7H,1-5H2;1-4H;5-7H,1-4H2;1H.

What are the key properties of 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride?

2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride has a molecular weight of 1257.84 g/mol, XLogP of 9.44, 14 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(azetidin-3-yl)ethanol;2-cyclobutylethanol;2-fluoropyridine;6-(4-hydroxy-3-methylphenyl)-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;2-(1-pyridin-2-ylazetidin-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 161332497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).